#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bw3 s GLN 2 N 0.00 1.14 -0.04 3.49 -0.21 -1.25 -4.01 119.66 118.78 1bw3 s GLN 2 Ca 0.00 -1.26 -0.05 0.00 0.02 0.00 0.00 55.36 54.07 1bw3 s GLN 2 Cb 0.00 -1.23 0.01 0.00 1.00 0.00 0.00 33.01 32.79 1bw3 s GLN 2 CO 0.00 0.26 0.13 0.00 -2.12 0.00 0.00 175.29 173.57 1bw3 s ALA 3 N -1.72 -0.33 0.38 6.09 0.00 -0.91 -4.97 121.76 120.30 1bw3 s ALA 3 Ca 0.10 0.27 0.04 0.00 0.00 0.00 0.00 51.96 52.37 1bw3 s ALA 3 Cb -0.07 -0.16 -0.05 0.00 0.00 0.00 0.00 23.12 22.84 1bw3 s ALA 3 CO 0.05 -0.09 0.07 0.54 0.00 0.00 0.00 175.76 176.32 1bw3 s ASN 4 N -0.23 2.79 -1.28 0.00 4.22 -1.26 -0.89 114.94 118.30 1bw3 s ASN 4 Ca -0.03 -1.49 -0.02 0.00 -2.14 0.00 0.00 52.86 49.18 1bw3 s ASN 4 Cb -0.02 0.13 -0.00 0.00 1.28 0.00 0.00 41.25 42.63 1bw3 s ASN 4 CO 0.00 -0.72 0.72 -0.67 -2.04 0.00 0.00 177.10 174.40 1bw3 n ASP 5 N -0.95 -1.80 -4.45 3.54 2.03 -1.19 -4.96 116.55 108.77 1bw3 n ASP 5 Ca -0.05 -0.83 -0.33 0.00 0.52 0.00 0.00 54.79 54.11 1bw3 n ASP 5 Cb 0.66 -4.09 -0.13 0.00 -0.72 0.00 0.00 41.12 36.83 1bw3 n ASP 5 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1bw3 s VAL 6 N -3.63 2.96 -0.80 5.18 1.01 -0.68 -4.93 120.40 119.51 1bw3 s VAL 6 Ca 0.06 -0.75 -0.25 0.00 0.00 0.00 0.00 61.98 61.04 1bw3 s VAL 6 Cb -0.02 -2.16 -0.01 0.00 0.00 0.00 0.00 36.38 34.19 1bw3 s VAL 6 CO 0.81 0.58 1.75 -0.13 0.00 0.00 0.00 175.10 178.11 1bw3 s ARG 7 N -0.61 2.83 -1.25 2.72 0.52 -1.26 -2.79 118.95 119.12 1bw3 s ARG 7 Ca 0.09 -0.12 -0.15 0.00 -0.52 0.00 0.00 55.73 55.03 1bw3 s ARG 7 Cb -0.11 -4.76 0.13 0.00 0.52 0.00 0.00 34.95 30.73 1bw3 s ARG 7 CO 0.01 -2.81 1.58 0.00 0.02 0.00 0.00 175.30 174.10 1bw3 n ALA 8 N 12.12 3.82 -1.85 2.13 0.00 -0.23 -4.82 120.51 131.68 1bw3 n ALA 8 Ca 0.27 -4.09 -0.13 0.00 0.00 0.00 0.00 53.44 49.48 1bw3 n ALA 8 Cb 0.50 -3.27 0.11 0.00 0.00 0.00 0.00 19.45 16.78 1bw3 n ALA 8 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1bw3 n THR 9 N 5.26 0.00 -4.39 0.00 5.66 -1.26 -3.67 114.28 115.87 1bw3 n THR 9 Ca 0.42 -0.71 -0.20 0.00 -3.05 0.00 0.00 64.05 60.51 1bw3 n THR 9 Cb 0.44 -1.51 -0.10 0.00 -1.55 0.00 0.00 70.33 67.61 1bw3 n THR 9 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 1bw3 s TYR 10 N -2.47 1.73 0.30 1.09 -0.85 -1.26 -4.56 117.35 111.32 1bw3 s TYR 10 Ca 0.44 -1.15 0.02 0.00 -0.52 0.00 0.00 57.07 55.87 1bw3 s TYR 10 Cb -0.02 -1.06 -0.05 0.00 0.38 0.00 0.00 41.96 41.22 1bw3 s TYR 10 CO 0.31 -0.25 0.10 -1.58 -1.52 0.00 0.00 175.55 172.61 1bw3 s HIS 11 N -3.50 1.70 -0.54 -3.49 2.46 -1.26 -4.98 115.29 105.67 1bw3 s HIS 11 Ca 0.35 -1.15 0.07 0.00 0.47 0.00 0.00 55.06 54.79 1bw3 s HIS 11 Cb 0.07 -1.03 0.25 0.00 -0.13 0.00 0.00 32.58 31.74 1bw3 s HIS 11 CO 0.15 -0.26 0.67 0.66 -2.47 0.00 0.00 174.74 173.49 1bw3 n TYR 12 N -0.59 2.15 -0.82 3.88 4.02 -1.26 -4.94 117.16 119.61 1bw3 n TYR 12 Ca -0.01 -3.93 0.08 0.00 -0.01 0.00 0.00 57.90 54.03 1bw3 n TYR 12 Cb 0.66 -0.48 0.32 0.00 -0.02 0.00 0.00 39.34 39.82 1bw3 n TYR 12 CO 0.00 0.00 0.00 2.48 -1.01 0.00 0.00 176.86 178.33 1bw3 n TYR 13 N 1.02 1.38 -2.41 -0.72 4.11 -1.26 -4.99 117.16 114.28 1bw3 n TYR 13 Ca 0.27 -0.74 -0.07 0.00 -0.00 0.00 0.00 57.90 57.35 1bw3 n TYR 13 Cb 0.46 -0.34 0.03 0.00 -0.00 0.00 0.00 39.34 39.49 1bw3 n TYR 13 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 1bw3 n ARG 14 N 0.27 -1.14 0.00 -3.48 3.00 -1.26 -4.96 116.66 109.09 1bw3 n ARG 14 Ca 0.23 0.52 0.00 0.00 -0.01 0.00 0.00 57.85 58.59 1bw3 n ARG 14 Cb 0.95 -3.79 0.00 0.00 0.00 0.00 0.00 32.46 29.62 1bw3 n ARG 14 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1bw3 n PRO 15 N -2.31 0.00 0.15 5.56 -0.04 -1.26 -1.95 135.00 135.15 1bw3 n PRO 15 Ca -0.03 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.52 1bw3 n PRO 15 Cb 0.56 -0.06 0.52 0.00 -0.04 0.00 0.00 33.50 34.48 1bw3 n PRO 15 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bw3 n ALA 16 N -3.00 1.00 0.03 0.55 0.00 -1.26 -0.20 120.51 117.64 1bw3 n ALA 16 Ca 0.00 0.18 -0.12 0.00 0.00 0.00 0.00 53.44 53.50 1bw3 n ALA 16 Cb 0.00 -1.24 -0.07 0.00 0.00 0.00 0.00 19.45 18.14 1bw3 n ALA 16 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1bw3 h GLN 17 N 0.00 0.01 -1.86 0.00 5.75 -1.98 0.19 115.11 117.22 1bw3 h GLN 17 Ca 0.00 -0.00 -0.45 0.00 -0.15 0.00 0.00 58.65 58.05 1bw3 h GLN 17 Cb 0.05 -0.00 -0.17 0.00 1.07 0.00 0.00 27.48 28.43 1bw3 h GLN 17 CO 0.00 0.01 0.38 -1.71 -2.65 0.00 0.00 178.83 174.86 1bw3 n ASN 18 N -5.08 6.45 -2.21 -0.69 5.15 -0.07 -4.67 115.26 114.14 1bw3 n ASN 18 Ca -0.07 -3.16 0.00 0.00 -0.60 0.00 0.00 54.58 50.76 1bw3 n ASN 18 Cb 0.03 -1.19 0.00 0.00 -0.53 0.00 0.00 39.78 38.09 1bw3 n ASN 18 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1bw3 n ASN 19 N 0.77 -0.82 -3.40 1.20 5.15 0.67 -1.21 115.26 117.61 1bw3 n ASN 19 Ca 0.44 0.41 -0.16 0.00 -0.60 0.00 0.00 54.58 54.67 1bw3 n ASN 19 Cb 0.57 -0.90 -0.05 0.00 -0.53 0.00 0.00 39.78 38.88 1bw3 n ASN 19 CO 0.00 0.00 0.00 -2.67 1.40 0.00 0.00 177.26 175.99 1bw3 n TRP 20 N -2.20 -0.63 -2.92 1.20 2.14 0.73 -4.80 117.44 110.95 1bw3 n TRP 20 Ca 0.00 0.31 -0.43 0.00 2.07 0.00 0.00 57.50 59.45 1bw3 n TRP 20 Cb 0.41 -1.39 -0.04 0.00 -0.81 0.00 0.00 31.31 29.48 1bw3 n TRP 20 CO 0.00 0.00 0.00 0.34 2.07 0.00 0.00 177.69 180.10 1bw3 s ASP 21 N -3.62 6.25 0.13 -0.67 -1.08 -0.35 -4.84 116.67 112.48 1bw3 s ASP 21 Ca 0.02 -0.76 0.04 0.00 -0.52 0.00 0.00 52.55 51.33 1bw3 s ASP 21 Cb -0.01 -2.39 0.22 0.00 -1.46 0.00 0.00 42.92 39.27 1bw3 s ASP 21 CO 0.50 -1.24 0.90 0.18 0.52 0.00 0.00 175.17 176.04 1bw3 n LEU 22 N 7.23 0.10 -0.60 -1.34 4.77 -1.26 -0.04 117.00 125.86 1bw3 n LEU 22 Ca -0.03 0.33 0.05 0.00 -0.03 0.00 0.00 56.01 56.33 1bw3 n LEU 22 Cb 0.46 -0.29 0.14 0.00 -2.33 0.00 0.00 43.42 41.40 1bw3 n LEU 22 CO 0.62 -0.37 0.62 0.61 -1.33 0.00 0.00 177.39 177.54 1bw3 n GLY 23 N -1.24 0.54 3.63 -0.72 0.00 -1.26 -2.65 105.19 103.48 1bw3 n GLY 23 Ca -0.00 -0.35 -0.41 0.00 0.00 0.00 0.00 46.02 45.27 1bw3 n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bw3 s ALA 24 N -1.58 3.61 0.06 4.61 0.00 0.94 -4.95 121.76 124.45 1bw3 s ALA 24 Ca 0.21 -0.44 -0.12 0.00 0.00 0.00 0.00 51.96 51.61 1bw3 s ALA 24 Cb 0.11 -3.03 -0.03 0.00 0.00 0.00 0.00 23.12 20.18 1bw3 s ALA 24 CO 0.14 -0.81 0.71 -2.30 0.00 0.00 0.00 175.76 173.50 1bw3 n PRO 25 N 5.70 -0.17 0.10 0.00 -0.01 -1.26 -0.74 135.00 138.63 1bw3 n PRO 25 Ca -0.01 0.70 0.01 0.00 -0.01 0.00 0.00 63.50 64.19 1bw3 n PRO 25 Cb 0.49 -1.03 0.07 0.00 -0.01 0.00 0.00 33.50 33.02 1bw3 n PRO 25 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1bw3 n ALA 26 N -3.34 0.18 0.01 3.55 0.00 -1.26 -3.10 120.51 116.55 1bw3 n ALA 26 Ca 0.01 0.02 -0.01 0.00 0.00 0.00 0.00 53.44 53.46 1bw3 n ALA 26 Cb 0.10 -0.21 -0.00 0.00 0.00 0.00 0.00 19.45 19.33 1bw3 n ALA 26 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1bw3 n VAL 27 N -1.56 0.76 -3.67 0.00 0.31 0.08 -5.04 118.33 109.21 1bw3 n VAL 27 Ca -0.00 0.25 -0.19 0.00 -0.01 0.00 0.00 64.34 64.39 1bw3 n VAL 27 Cb 0.55 -1.48 -0.02 0.00 -0.91 0.00 0.00 33.84 31.98 1bw3 n VAL 27 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1bw3 n SER 28 N -3.20 -0.90 -4.78 4.52 3.41 -1.08 -4.92 113.62 106.66 1bw3 n SER 28 Ca -0.02 -0.62 -0.30 0.00 -0.26 0.00 0.00 58.87 57.67 1bw3 n SER 28 Cb 0.06 -0.75 0.10 0.00 -0.26 0.00 0.00 64.21 63.36 1bw3 n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bw3 s ALA 29 N -4.02 2.06 0.05 7.33 0.00 -1.26 -4.87 121.76 121.04 1bw3 s ALA 29 Ca 0.13 -0.11 -0.09 0.00 0.00 0.00 0.00 51.96 51.89 1bw3 s ALA 29 Cb -0.08 -3.15 -0.02 0.00 0.00 0.00 0.00 23.12 19.88 1bw3 s ALA 29 CO 0.47 -1.89 0.48 0.98 0.00 0.00 0.00 175.76 175.80 1bw3 n TYR 30 N -3.56 -0.13 0.55 0.00 4.19 -1.26 0.27 117.16 117.22 1bw3 n TYR 30 Ca 0.07 0.36 0.10 0.00 3.31 0.00 0.00 57.90 61.75 1bw3 n TYR 30 Cb 0.56 -0.49 0.27 0.00 0.49 0.00 0.00 39.34 40.17 1bw3 n TYR 30 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1bw3 h ALA 32 N 4.19 2.04 0.00 0.00 0.00 -0.52 0.63 119.26 125.60 1bw3 h ALA 32 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1bw3 h ALA 32 Cb 0.75 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1bw3 h ALA 32 CO 0.00 -0.60 -0.18 2.41 0.00 0.00 0.00 179.25 180.88 1bw3 n THR 33 N -3.67 0.16 0.00 0.00 -1.04 -1.26 -2.37 114.28 106.10 1bw3 n THR 33 Ca 0.06 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 1bw3 n THR 33 Cb 0.58 -0.31 0.00 0.00 -1.82 0.00 0.00 70.33 68.78 1bw3 n THR 33 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 1bw3 n TRP 34 N -1.73 0.00 -0.05 -1.42 8.01 0.11 -4.83 117.44 117.53 1bw3 n TRP 34 Ca 0.06 0.00 -0.07 0.00 -1.31 0.00 0.00 57.50 56.18 1bw3 n TRP 34 Cb 0.37 0.00 -0.05 0.00 -2.01 0.00 0.00 31.31 29.62 1bw3 n TRP 34 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.69 173.21 1bw3 n ASP 35 N -1.10 3.14 0.08 -0.99 2.03 0.18 -4.37 116.55 115.52 1bw3 n ASP 35 Ca 0.00 -0.06 0.05 0.00 0.52 0.00 0.00 54.79 55.31 1bw3 n ASP 35 Cb 0.00 -0.13 0.29 0.00 -0.72 0.00 0.00 41.12 40.56 1bw3 n ASP 35 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1bw3 n ALA 36 N -2.80 1.02 -0.01 -1.67 0.00 -1.00 0.28 120.51 116.35 1bw3 n ALA 36 Ca -0.19 0.10 -0.10 0.00 0.00 0.00 0.00 53.44 53.25 1bw3 n ALA 36 Cb 0.71 -1.16 -0.14 0.00 0.00 0.00 0.00 19.45 18.87 1bw3 n ALA 36 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1bw3 h SER 37 N 0.00 0.05 -4.29 0.00 4.64 -1.81 -3.47 113.55 108.68 1bw3 h SER 37 Ca 0.00 -0.10 -0.51 0.00 -0.47 0.00 0.00 61.79 60.71 1bw3 h SER 37 Cb 0.00 -0.02 0.11 0.00 -0.31 0.00 0.00 62.40 62.18 1bw3 h SER 37 CO 0.00 1.09 0.35 -0.54 -0.87 0.00 0.00 176.83 176.86 1bw3 s LYS 38 N -2.61 2.67 0.52 4.77 1.02 0.14 -5.00 119.74 121.25 1bw3 s LYS 38 Ca -0.06 1.13 -0.22 0.00 0.02 0.00 0.00 55.97 56.85 1bw3 s LYS 38 Cb 0.08 -1.95 -0.07 0.00 -0.52 0.00 0.00 37.83 35.37 1bw3 s LYS 38 CO 0.82 -1.32 1.10 -0.35 -0.92 0.00 0.00 175.35 174.68 1bw3 n PRO 39 N -3.07 1.32 -0.23 -1.68 -0.04 -1.26 -4.89 135.00 125.16 1bw3 n PRO 39 Ca 0.09 0.49 -0.02 0.00 -0.04 0.00 0.00 63.50 64.01 1bw3 n PRO 39 Cb 0.53 -2.25 0.09 0.00 -0.04 0.00 0.00 33.50 31.83 1bw3 n PRO 39 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1bw3 h LEU 40 N 1.18 0.57 -0.63 1.53 3.38 -1.94 -2.96 115.31 116.44 1bw3 h LEU 40 Ca -0.48 0.02 0.06 0.00 0.09 0.00 0.00 57.88 57.57 1bw3 h LEU 40 Cb 1.34 -0.09 -0.08 0.00 0.09 0.00 0.00 40.66 41.92 1bw3 h LEU 40 CO 0.55 0.38 -0.37 -1.54 0.09 0.00 0.00 178.44 177.55 1bw3 n SER 41 N -4.77 -0.66 0.42 -0.43 3.41 -1.26 -0.71 113.62 109.62 1bw3 n SER 41 Ca 0.08 1.28 -0.19 0.00 -0.26 0.00 0.00 58.87 59.78 1bw3 n SER 41 Cb 0.14 -0.23 -0.09 0.00 -0.26 0.00 0.00 64.21 63.77 1bw3 n SER 41 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 175.04 174.63 1bw3 h TRP 42 N 0.00 -0.98 -1.36 7.33 7.01 -1.89 -0.59 115.95 125.47 1bw3 h TRP 42 Ca 0.10 -0.02 0.44 0.00 2.11 0.00 0.00 58.89 61.52 1bw3 h TRP 42 Cb 0.26 0.32 -0.12 0.00 -2.10 0.00 0.00 29.16 27.52 1bw3 h TRP 42 CO -0.80 -0.60 0.88 0.00 -2.79 0.00 0.00 178.44 175.13 1bw3 h ARG 43 N -1.09 0.08 0.00 2.65 3.08 -0.76 -0.84 114.38 117.50 1bw3 h ARG 43 Ca -0.11 -0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.85 1bw3 h ARG 43 Cb 0.82 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.84 1bw3 h ARG 43 CO 0.18 0.05 -0.61 0.66 -1.07 0.00 0.00 179.97 179.18 1bw3 h SER 44 N 0.08 0.00 -0.70 7.04 4.64 -0.83 -3.37 113.55 120.41 1bw3 h SER 44 Ca 0.82 -0.36 0.09 0.00 -0.47 0.00 0.00 61.79 61.88 1bw3 h SER 44 Cb 2.64 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 64.62 1bw3 h SER 44 CO -0.39 1.02 -0.32 1.17 -0.87 0.00 0.00 176.83 177.45 1bw3 n LYS 45 N -4.58 -0.21 0.00 4.77 4.81 -0.25 -4.75 118.16 117.96 1bw3 n LYS 45 Ca -0.16 1.08 0.00 0.00 -0.87 0.00 0.00 58.31 58.36 1bw3 n LYS 45 Cb 0.41 -1.59 0.00 0.00 0.02 0.00 0.00 35.03 33.87 1bw3 n LYS 45 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1bw3 n TYR 46 N -4.99 0.00 -2.29 5.64 4.01 -0.42 -4.96 117.16 114.15 1bw3 n TYR 46 Ca 0.05 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.64 1bw3 n TYR 46 Cb 0.25 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.28 1bw3 n TYR 46 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1bw3 n GLY 47 N 0.00 -0.25 2.30 2.72 0.00 -1.26 -4.01 105.19 104.69 1bw3 n GLY 47 Ca 0.00 -0.25 -0.20 0.00 0.00 0.00 0.00 46.02 45.56 1bw3 n GLY 47 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1bw3 n TRP 48 N -4.02 0.73 -3.47 1.61 -0.00 -1.24 -4.86 117.44 106.19 1bw3 n TRP 48 Ca -0.18 -3.82 -0.12 0.00 -0.00 0.00 0.00 57.50 53.38 1bw3 n TRP 48 Cb 0.64 -0.42 -0.03 0.00 -0.00 0.00 0.00 31.31 31.49 1bw3 n TRP 48 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 177.69 178.64 1bw3 s THR 49 N -2.53 0.01 0.01 5.87 -4.23 0.01 -4.50 115.64 110.27 1bw3 s THR 49 Ca 0.41 -0.10 -0.00 0.00 -1.18 0.00 0.00 61.69 60.81 1bw3 s THR 49 Cb 0.31 -1.02 -0.04 0.00 1.34 0.00 0.00 72.50 73.09 1bw3 s THR 49 CO -0.09 -0.06 0.10 0.00 -0.54 0.00 0.00 174.62 174.03 1bw3 s ALA 50 N -3.42 3.65 0.05 3.99 0.00 -1.26 -0.34 121.76 124.43 1bw3 s ALA 50 Ca -0.00 -0.87 0.08 0.00 0.00 0.00 0.00 51.96 51.17 1bw3 s ALA 50 Cb -0.00 -1.62 -0.03 0.00 0.00 0.00 0.00 23.12 21.47 1bw3 s ALA 50 CO -0.10 0.71 -0.21 -0.59 0.00 0.00 0.00 175.76 175.57 1bw3 s PHE 51 N -1.24 1.87 -0.10 0.00 -0.12 0.12 -4.10 117.98 114.41 1bw3 s PHE 51 Ca 0.25 -0.38 -0.01 0.00 -0.05 0.00 0.00 56.93 56.73 1bw3 s PHE 51 Cb -0.12 -1.11 -0.25 0.00 -0.63 0.00 0.00 43.02 40.90 1bw3 s PHE 51 CO 0.16 0.10 0.45 0.00 -0.05 0.00 0.00 175.22 175.88 1bw3 n GLY 53 N 1.87 1.46 0.48 0.00 0.00 -1.26 -4.81 105.19 102.93 1bw3 n GLY 53 Ca -0.28 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.55 1bw3 n GLY 53 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bw3 h PRO 54 N 0.00 -1.16 -2.38 1.61 0.13 -2.02 -3.40 132.00 124.78 1bw3 h PRO 54 Ca 0.00 0.08 -0.56 0.00 -0.87 0.00 0.00 66.00 64.65 1bw3 h PRO 54 Cb 0.00 0.26 -0.37 0.00 0.13 0.00 0.00 31.00 31.02 1bw3 h PRO 54 CO 0.00 -0.77 -0.89 0.00 -0.23 0.00 0.00 178.00 176.11 1bw3 s ALA 55 N -5.88 0.94 0.00 -0.56 0.00 -1.26 -5.03 121.76 109.98 1bw3 s ALA 55 Ca -0.19 -2.02 0.00 0.00 0.00 0.00 0.00 51.96 49.75 1bw3 s ALA 55 Cb 0.02 -1.66 0.00 0.00 0.00 0.00 0.00 23.12 21.48 1bw3 s ALA 55 CO 0.58 -2.05 0.00 0.41 0.00 0.00 0.00 175.76 174.70 1bw3 n GLY 56 N 3.46 4.42 3.55 0.00 0.00 -1.26 0.16 105.19 115.53 1bw3 n GLY 56 Ca 0.21 -1.16 -0.38 0.00 0.00 0.00 0.00 46.02 44.68 1bw3 n GLY 56 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1bw3 s PRO 57 N -3.43 2.58 0.29 1.61 0.04 -1.26 -4.86 135.00 129.97 1bw3 s PRO 57 Ca 0.00 0.70 -0.08 0.00 0.04 0.00 0.00 61.00 61.66 1bw3 s PRO 57 Cb 0.00 -4.41 -0.00 0.00 0.04 0.00 0.00 34.50 30.13 1bw3 s PRO 57 CO 0.00 -2.78 0.46 -0.98 0.04 0.00 0.00 177.00 173.74 1bw3 s ARG 58 N 7.15 1.70 0.00 4.56 3.03 -1.26 -4.93 118.95 129.21 1bw3 s ARG 58 Ca 0.70 -1.50 0.00 0.00 2.03 0.00 0.00 55.73 56.96 1bw3 s ARG 58 Cb -0.13 0.45 0.00 0.00 -1.03 0.00 0.00 34.95 34.24 1bw3 s ARG 58 CO 0.21 -0.70 0.00 0.41 -1.13 0.00 0.00 175.30 174.09 1bw3 n GLY 59 N -0.45 0.71 0.45 3.88 0.00 -1.26 -4.93 105.19 103.58 1bw3 n GLY 59 Ca -0.01 -0.65 -0.17 0.00 0.00 0.00 0.00 46.02 45.19 1bw3 n GLY 59 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1bw3 h GLN 60 N 0.00 -1.10 -1.44 1.61 4.20 -1.99 -3.00 115.11 113.40 1bw3 h GLN 60 Ca 0.00 0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.78 1bw3 h GLN 60 Cb 0.00 0.25 0.00 0.00 0.30 0.00 0.00 27.48 28.03 1bw3 h GLN 60 CO 0.00 -0.73 0.00 0.00 -0.67 0.00 0.00 178.83 177.43 1bw3 n ALA 61 N -2.61 2.68 -0.01 3.87 0.00 -1.26 -2.51 120.51 120.67 1bw3 n ALA 61 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1bw3 n ALA 61 Cb 0.45 -1.06 -0.04 0.00 0.00 0.00 0.00 19.45 18.80 1bw3 n ALA 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bw3 n ALA 62 N 0.90 2.05 -1.52 0.00 0.00 -1.13 -4.95 120.51 115.86 1bw3 n ALA 62 Ca 0.00 -0.20 -0.23 0.00 0.00 0.00 0.00 53.44 53.01 1bw3 n ALA 62 Cb 0.40 -0.02 -0.15 0.00 0.00 0.00 0.00 19.45 19.68 1bw3 n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bw3 n GLY 64 N 6.08 0.73 3.91 0.00 0.00 -1.21 -5.07 105.19 109.62 1bw3 n GLY 64 Ca 0.59 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.33 1bw3 n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bw3 s LYS 65 N 0.00 3.21 0.30 1.61 1.02 0.12 -4.74 119.74 121.26 1bw3 s LYS 65 Ca 0.00 0.15 0.08 0.00 0.02 0.00 0.00 55.97 56.22 1bw3 s LYS 65 Cb 0.00 -2.29 -0.06 0.00 -0.52 0.00 0.00 37.83 34.96 1bw3 s LYS 65 CO 0.00 -0.51 -0.10 0.00 -0.92 0.00 0.00 175.35 173.83 1bw3 s LEU 67 N -3.50 2.26 -0.10 0.00 1.43 0.14 -0.72 118.68 118.19 1bw3 s LEU 67 Ca 0.30 -0.57 -0.19 0.00 -1.03 0.00 0.00 54.13 52.64 1bw3 s LEU 67 Cb 0.02 -1.51 -0.04 0.00 0.03 0.00 0.00 46.19 44.69 1bw3 s LEU 67 CO 0.14 0.05 0.51 -0.60 0.23 0.00 0.00 176.35 176.68 1bw3 s ARG 68 N 1.02 4.34 -0.08 1.70 3.52 0.51 0.19 118.95 130.15 1bw3 s ARG 68 Ca -0.02 0.53 0.04 0.00 -0.13 0.00 0.00 55.73 56.15 1bw3 s ARG 68 Cb -0.15 -3.42 -0.00 0.00 -1.56 0.00 0.00 34.95 29.82 1bw3 s ARG 68 CO -0.05 0.18 -0.22 0.08 -0.81 0.00 0.00 175.30 174.48 1bw3 s VAL 69 N 0.52 1.84 0.03 7.11 1.01 -0.20 -0.31 120.40 130.41 1bw3 s VAL 69 Ca 0.28 -0.91 0.09 0.00 0.00 0.00 0.00 61.98 61.43 1bw3 s VAL 69 Cb -0.16 -1.59 -0.03 0.00 0.00 0.00 0.00 36.38 34.61 1bw3 s VAL 69 CO 0.12 0.51 -0.26 -0.89 0.00 0.00 0.00 175.10 174.58 1bw3 s THR 70 N 0.21 2.11 -0.78 3.92 2.01 0.28 -0.49 115.64 122.90 1bw3 s THR 70 Ca -0.12 -1.31 0.02 0.00 0.31 0.00 0.00 61.69 60.59 1bw3 s THR 70 Cb -0.16 -1.79 0.19 0.00 0.01 0.00 0.00 72.50 70.75 1bw3 s THR 70 CO 0.06 0.43 0.61 0.21 -0.69 0.00 0.00 174.62 175.24 1bw3 s ASN 71 N -1.06 5.32 0.57 3.53 3.84 0.49 -1.44 114.94 126.19 1bw3 s ASN 71 Ca 0.11 -3.79 0.43 0.00 0.21 0.00 0.00 52.86 49.83 1bw3 s ASN 71 Cb -0.10 -1.75 1.53 0.00 -0.55 0.00 0.00 41.25 40.38 1bw3 s ASN 71 CO 0.01 -0.13 1.55 -0.65 -2.79 0.00 0.00 177.10 175.09 1bw3 h PRO 72 N 5.68 0.00 -0.82 0.43 0.11 -1.84 0.32 132.00 135.87 1bw3 h PRO 72 Ca 0.15 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.27 1bw3 h PRO 72 Cb 0.78 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.85 1bw3 h PRO 72 CO 0.78 0.00 0.54 0.00 -0.21 0.00 0.00 178.00 179.11 1bw3 h ALA 73 N 0.96 1.43 0.00 -0.75 0.00 -1.94 -3.30 119.26 115.66 1bw3 h ALA 73 Ca 0.78 -0.05 -0.18 0.00 0.00 0.00 0.00 54.91 55.45 1bw3 h ALA 73 Cb 3.35 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 20.78 1bw3 h ALA 73 CO -0.01 0.52 -1.70 0.25 0.00 0.00 0.00 179.25 178.31 1bw3 n THR 74 N -4.42 0.71 0.00 0.00 -2.24 0.80 -4.94 114.28 104.18 1bw3 n THR 74 Ca 0.10 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1bw3 n THR 74 Cb 0.05 -0.94 0.00 0.00 -2.10 0.00 0.00 70.33 67.34 1bw3 n THR 74 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bw3 n GLY 75 N 2.91 0.58 3.83 3.38 0.00 0.64 -5.08 105.19 111.45 1bw3 n GLY 75 Ca -0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.49 1bw3 n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bw3 s ALA 76 N -2.00 2.69 0.04 4.61 0.00 -1.25 -4.73 121.76 121.12 1bw3 s ALA 76 Ca 0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 51.96 51.90 1bw3 s ALA 76 Cb 0.00 -3.14 -0.02 0.00 0.00 0.00 0.00 23.12 19.96 1bw3 s ALA 76 CO 0.00 -1.22 0.03 -0.65 0.00 0.00 0.00 175.76 173.92 1bw3 s GLN 77 N -5.11 0.53 0.23 0.00 -0.21 -1.26 -0.38 119.66 113.45 1bw3 s GLN 77 Ca 0.58 -0.86 -0.05 0.00 0.02 0.00 0.00 55.36 55.05 1bw3 s GLN 77 Cb -0.13 0.20 -0.02 0.00 1.00 0.00 0.00 33.01 34.05 1bw3 s GLN 77 CO 0.54 -0.11 0.28 -1.50 -2.12 0.00 0.00 175.29 172.38 1bw3 s ILE 78 N -2.72 0.00 -0.11 1.08 1.10 0.36 -5.00 121.20 115.91 1bw3 s ILE 78 Ca -0.04 -1.77 -0.00 0.00 -0.51 0.00 0.00 60.65 58.33 1bw3 s ILE 78 Cb -0.01 -2.40 0.02 0.00 0.15 0.00 0.00 42.46 40.22 1bw3 s ILE 78 CO -0.05 0.00 -0.08 -0.89 -2.11 0.00 0.00 174.94 171.81 1bw3 s THR 79 N -4.01 1.03 0.42 4.00 2.01 -1.26 -1.03 115.64 116.80 1bw3 s THR 79 Ca 0.33 -0.30 0.07 0.00 0.31 0.00 0.00 61.69 62.10 1bw3 s THR 79 Cb 0.04 -1.03 0.01 0.00 0.01 0.00 0.00 72.50 71.52 1bw3 s THR 79 CO 0.12 0.36 0.57 0.00 -0.69 0.00 0.00 174.62 174.99 1bw3 s ALA 80 N 1.59 4.46 -1.03 7.40 0.00 0.13 -4.86 121.76 129.44 1bw3 s ALA 80 Ca 0.03 -1.63 -0.06 0.00 0.00 0.00 0.00 51.96 50.30 1bw3 s ALA 80 Cb -0.13 -1.67 0.26 0.00 0.00 0.00 0.00 23.12 21.59 1bw3 s ALA 80 CO -0.07 -0.29 1.02 0.54 0.00 0.00 0.00 175.76 176.97 1bw3 n ARG 81 N -1.86 3.28 -1.51 0.00 1.74 -1.26 0.24 116.66 117.29 1bw3 n ARG 81 Ca 0.07 -4.48 -0.28 0.00 -0.77 0.00 0.00 57.85 52.39 1bw3 n ARG 81 Cb 0.59 -2.49 -0.19 0.00 -1.02 0.00 0.00 32.46 29.35 1bw3 n ARG 81 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1bw3 n ILE 82 N 2.41 -0.00 0.01 0.55 5.41 -0.56 -0.81 119.36 126.36 1bw3 n ILE 82 Ca 0.23 -0.35 0.00 0.00 1.00 0.00 0.00 62.75 63.64 1bw3 n ILE 82 Cb 0.38 -0.37 0.00 0.00 -0.71 0.00 0.00 39.64 38.94 1bw3 n ILE 82 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 1bw3 n VAL 83 N 6.42 0.03 -2.78 1.39 0.31 0.54 -3.32 118.33 120.92 1bw3 n VAL 83 Ca 0.65 0.01 -0.20 0.00 -0.01 0.00 0.00 64.34 64.79 1bw3 n VAL 83 Cb 0.13 -0.88 0.05 0.00 -0.91 0.00 0.00 33.84 32.24 1bw3 n VAL 83 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1bw3 s ASP 84 N -5.02 5.15 0.34 4.52 2.15 -0.01 -4.30 116.67 119.49 1bw3 s ASP 84 Ca 0.00 -0.31 0.08 0.00 0.43 0.00 0.00 52.55 52.74 1bw3 s ASP 84 Cb 0.00 -0.46 -0.03 0.00 -0.30 0.00 0.00 42.92 42.13 1bw3 s ASP 84 CO 0.00 -1.23 0.21 -1.58 -0.17 0.00 0.00 175.17 172.40 1bw3 s GLN 85 N -4.73 2.55 0.30 4.34 0.74 -1.26 0.13 119.66 121.73 1bw3 s GLN 85 Ca 0.59 -1.41 0.08 0.00 0.05 0.00 0.00 55.36 54.67 1bw3 s GLN 85 Cb -0.09 -2.33 -0.04 0.00 1.10 0.00 0.00 33.01 31.66 1bw3 s GLN 85 CO 0.38 0.11 0.18 0.00 -0.55 0.00 0.00 175.29 175.42 1bw3 n ALA 87 N -1.19 2.46 -3.10 0.00 0.00 -1.26 -4.93 120.51 112.49 1bw3 n ALA 87 Ca -0.05 -0.07 -0.20 0.00 0.00 0.00 0.00 53.44 53.12 1bw3 n ALA 87 Cb 0.59 0.04 -0.03 0.00 0.00 0.00 0.00 19.45 20.06 1bw3 n ALA 87 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1bw3 n ASN 88 N -2.75 1.88 0.00 0.00 0.23 -1.26 -5.06 115.26 108.30 1bw3 n ASN 88 Ca -0.01 -3.20 0.00 0.00 -0.53 0.00 0.00 54.58 50.85 1bw3 n ASN 88 Cb 0.02 -0.60 0.00 0.00 -2.08 0.00 0.00 39.78 37.12 1bw3 n ASN 88 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1bw3 n GLY 89 N 0.12 3.11 3.26 4.83 0.00 -1.26 -5.05 105.19 110.20 1bw3 n GLY 89 Ca 0.26 -2.00 -0.15 0.00 0.00 0.00 0.00 46.02 44.13 1bw3 n GLY 89 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bw3 s GLY 90 N 0.00 1.79 0.00 -0.02 0.00 -1.26 -4.80 107.32 103.03 1bw3 s GLY 90 Ca 0.00 -1.81 0.00 0.00 0.00 0.00 0.00 44.72 42.91 1bw3 s GLY 90 CO 0.00 -1.47 0.00 1.04 0.00 0.00 0.00 173.10 172.67 1bw3 n LEU 91 N -0.43 -1.80 -0.07 0.66 4.77 -1.26 -4.27 117.00 114.60 1bw3 n LEU 91 Ca 0.03 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.92 1bw3 n LEU 91 Cb 0.65 -0.45 -0.07 0.00 -2.33 0.00 0.00 43.42 41.22 1bw3 n LEU 91 CO 0.34 0.00 -0.93 -0.90 -1.33 0.00 0.00 177.39 174.56 1bw3 n ASP 92 N 0.52 2.70 -0.30 -1.43 5.75 -1.26 -4.54 116.55 117.99 1bw3 n ASP 92 Ca 0.00 -0.05 0.27 0.00 -0.01 0.00 0.00 54.79 55.00 1bw3 n ASP 92 Cb 0.45 0.09 0.51 0.00 -1.03 0.00 0.00 41.12 41.13 1bw3 n ASP 92 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1bw3 n LEU 93 N -2.76 0.26 0.00 -2.12 4.32 -1.26 -2.83 117.00 112.61 1bw3 n LEU 93 Ca -0.23 1.56 0.00 0.00 -0.02 0.00 0.00 56.01 57.32 1bw3 n LEU 93 Cb 0.80 -0.73 0.00 0.00 -1.62 0.00 0.00 43.42 41.87 1bw3 n LEU 93 CO 0.17 -1.72 0.00 0.47 -1.22 0.00 0.00 177.39 175.09 1bw3 n ASP 94 N -5.16 0.00 0.00 -1.43 8.00 -1.26 -4.46 116.55 112.24 1bw3 n ASP 94 Ca 0.33 0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.99 1bw3 n ASP 94 Cb 1.13 -0.30 0.00 0.00 -0.02 0.00 0.00 41.12 41.93 1bw3 n ASP 94 CO 0.00 0.00 0.00 1.87 -0.39 0.00 0.00 177.20 178.68 1bw3 n TRP 95 N -1.73 0.00 0.14 1.24 -0.00 -1.13 -3.60 117.44 112.36 1bw3 n TRP 95 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 57.50 57.51 1bw3 n TRP 95 Cb 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 31.31 31.43 1bw3 n TRP 95 CO 0.00 0.00 0.00 0.38 -0.00 0.00 0.00 177.69 178.07 1bw3 h ASP 96 N 0.00 0.00 0.13 5.87 2.03 -1.92 -2.61 116.42 119.92 1bw3 h ASP 96 Ca 0.00 0.00 -0.36 0.00 -0.73 0.00 0.00 57.03 55.94 1bw3 h ASP 96 Cb 0.00 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.49 1bw3 h ASP 96 CO 0.00 0.57 -1.98 0.71 -1.03 0.00 0.00 179.24 177.51 1bw3 h THR 97 N 0.00 0.64 0.00 1.15 1.35 -1.97 -3.42 112.91 110.67 1bw3 h THR 97 Ca -0.01 -2.35 0.00 0.00 -0.55 0.00 0.00 66.41 63.50 1bw3 h THR 97 Cb 1.27 2.53 0.00 0.00 -1.73 0.00 0.00 68.15 70.21 1bw3 h THR 97 CO 0.07 0.90 0.00 0.52 -0.25 0.00 0.00 175.52 176.76 1bw3 n VAL 98 N -3.50 0.00 0.00 6.82 0.31 -1.22 -4.63 118.33 116.11 1bw3 n VAL 98 Ca -0.31 0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 1bw3 n VAL 98 Cb 1.05 -0.66 0.00 0.00 -0.91 0.00 0.00 33.84 33.32 1bw3 n VAL 98 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 1bw3 n PHE 99 N -1.20 0.00 0.13 3.52 7.35 -0.99 -2.57 117.46 123.69 1bw3 n PHE 99 Ca 0.00 0.00 0.01 0.00 -0.76 0.00 0.00 57.45 56.70 1bw3 n PHE 99 Cb 0.00 -0.30 0.04 0.00 0.35 0.00 0.00 39.48 39.57 1bw3 n PHE 99 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 1bw3 n THR 100 N -2.14 0.00 -0.07 -2.13 -2.24 -1.18 -2.26 114.28 104.27 1bw3 n THR 100 Ca 0.00 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.65 1bw3 n THR 100 Cb 0.00 -0.79 -0.14 0.00 -2.10 0.00 0.00 70.33 67.30 1bw3 n THR 100 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1bw3 n LYS 101 N -0.82 0.68 0.00 -0.78 4.76 -1.06 -4.17 118.16 116.76 1bw3 n LYS 101 Ca 0.01 0.15 0.14 0.00 -2.87 0.00 0.00 58.31 55.74 1bw3 n LYS 101 Cb 0.00 -1.63 0.51 0.00 -1.84 0.00 0.00 35.03 32.08 1bw3 n LYS 101 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 1bw3 n ILE 102 N -3.04 0.00 -2.94 -0.18 -5.35 -0.96 -4.55 119.36 102.34 1bw3 n ILE 102 Ca -0.31 -0.20 -0.43 0.00 -0.27 0.00 0.00 62.75 61.54 1bw3 n ILE 102 Cb 1.08 0.40 0.01 0.00 -1.74 0.00 0.00 39.64 39.39 1bw3 n ILE 102 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1bw3 n ASP 103 N -0.13 6.40 0.29 7.28 8.00 -1.23 -4.64 116.55 132.51 1bw3 n ASP 103 Ca 0.17 -3.41 -0.15 0.00 0.71 0.00 0.00 54.79 52.11 1bw3 n ASP 103 Cb 0.34 -1.28 -0.08 0.00 -0.02 0.00 0.00 41.12 40.08 1bw3 n ASP 103 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 1bw3 h THR 104 N 3.40 0.00 0.00 -3.53 1.35 -1.87 -3.37 112.91 108.89 1bw3 h THR 104 Ca 0.22 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.08 1bw3 h THR 104 Cb 0.60 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.02 1bw3 h THR 104 CO 1.35 0.00 0.00 -0.46 -0.25 0.00 0.00 175.52 176.16 1bw3 n ASN 105 N -4.90 0.43 -3.67 5.36 2.04 -1.26 -4.79 115.26 108.47 1bw3 n ASN 105 Ca -0.11 -0.71 -0.41 0.00 -0.44 0.00 0.00 54.58 52.91 1bw3 n ASN 105 Cb 0.39 0.51 0.00 0.00 -2.53 0.00 0.00 39.78 38.15 1bw3 n ASN 105 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1bw3 n GLY 106 N 0.51 5.03 2.60 4.83 0.00 -1.26 -4.79 105.19 112.11 1bw3 n GLY 106 Ca 0.00 -2.10 -0.31 0.00 0.00 0.00 0.00 46.02 43.61 1bw3 n GLY 106 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1bw3 n ILE 107 N 2.41 2.98 0.05 -0.61 2.08 -1.26 -4.63 119.36 120.38 1bw3 n ILE 107 Ca 0.51 -1.93 0.00 0.00 0.56 0.00 0.00 62.75 61.89 1bw3 n ILE 107 Cb 0.30 -2.34 0.00 0.00 -0.75 0.00 0.00 39.64 36.85 1bw3 n ILE 107 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1bw3 n GLY 108 N 3.85 1.60 0.10 7.39 0.00 -1.26 -3.44 105.19 113.43 1bw3 n GLY 108 Ca 0.55 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.40 1bw3 n GLY 108 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1bw3 h TYR 109 N 1.53 0.37 -2.84 1.61 3.20 -1.85 -3.32 116.97 115.67 1bw3 h TYR 109 Ca 0.00 -0.24 -0.59 0.00 3.14 0.00 0.00 58.73 61.04 1bw3 h TYR 109 Cb 0.65 -0.03 0.15 0.00 1.54 0.00 0.00 36.73 39.04 1bw3 h TYR 109 CO 0.20 1.12 -0.14 1.04 -1.64 0.00 0.00 178.16 178.74 1bw3 n GLN 110 N -4.34 0.87 0.00 1.82 1.13 -1.22 -2.79 117.38 112.85 1bw3 n GLN 110 Ca -0.11 0.32 0.00 0.00 -1.94 0.00 0.00 57.00 55.27 1bw3 n GLN 110 Cb 0.64 -1.80 0.00 0.00 0.11 0.00 0.00 30.24 29.19 1bw3 n GLN 110 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1bw3 n GLN 111 N 0.14 0.00 0.00 -1.09 6.02 -1.26 -3.70 117.38 117.49 1bw3 n GLN 111 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.10 1bw3 n GLN 111 Cb 0.42 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.68 1bw3 n GLN 111 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1bw3 n GLY 112 N 0.00 1.39 3.53 1.08 0.00 -1.12 -5.17 105.19 104.90 1bw3 n GLY 112 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1bw3 n GLY 112 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1bw3 s HIS 113 N -1.84 -0.48 0.03 1.61 -3.43 -1.24 -4.48 115.29 105.46 1bw3 s HIS 113 Ca 0.00 0.69 -0.01 0.00 -0.80 0.00 0.00 55.06 54.94 1bw3 s HIS 113 Cb 0.00 0.46 -0.03 0.00 -1.43 0.00 0.00 32.58 31.59 1bw3 s HIS 113 CO 0.00 -0.52 -0.01 -1.17 -2.00 0.00 0.00 174.74 171.03 1bw3 s LEU 114 N -1.56 2.27 -0.38 5.38 2.96 -1.24 -4.74 118.68 121.37 1bw3 s LEU 114 Ca -0.03 -0.66 -0.12 0.00 -0.22 0.00 0.00 54.13 53.10 1bw3 s LEU 114 Cb -0.00 0.19 0.02 0.00 0.50 0.00 0.00 46.19 46.90 1bw3 s LEU 114 CO 0.01 -0.42 0.23 0.21 -1.32 0.00 0.00 176.35 175.07 1bw3 s ASN 115 N -1.99 5.85 0.32 3.68 3.84 -1.26 -1.07 114.94 124.31 1bw3 s ASN 115 Ca -0.07 -0.91 0.03 0.00 0.21 0.00 0.00 52.86 52.12 1bw3 s ASN 115 Cb -0.03 -2.07 -0.04 0.00 -0.55 0.00 0.00 41.25 38.56 1bw3 s ASN 115 CO -0.04 -0.39 0.13 0.68 -2.79 0.00 0.00 177.10 174.70 1bw3 s VAL 116 N 1.60 0.51 0.11 -5.21 -7.23 -1.12 -4.62 120.40 104.45 1bw3 s VAL 116 Ca 0.03 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.28 1bw3 s VAL 116 Cb -0.19 -2.53 -0.04 0.00 0.56 0.00 0.00 36.38 34.18 1bw3 s VAL 116 CO 0.08 0.00 -0.18 0.20 -0.31 0.00 0.00 175.10 174.88 1bw3 s ASN 117 N -3.42 2.34 0.02 4.85 0.01 -0.52 -1.68 114.94 116.54 1bw3 s ASN 117 Ca 0.34 -0.71 -0.12 0.00 -0.71 0.00 0.00 52.86 51.65 1bw3 s ASN 117 Cb 0.05 -0.12 0.01 0.00 0.41 0.00 0.00 41.25 41.61 1bw3 s ASN 117 CO 0.16 -0.00 0.26 -0.72 -1.51 0.00 0.00 177.10 175.29 1bw3 s TYR 118 N -1.43 -0.07 0.05 2.20 -0.85 -0.06 -0.56 117.35 116.63 1bw3 s TYR 118 Ca 0.07 -0.02 0.03 0.00 -0.52 0.00 0.00 57.07 56.63 1bw3 s TYR 118 Cb -0.09 0.05 -0.02 0.00 0.38 0.00 0.00 41.96 42.28 1bw3 s TYR 118 CO 0.04 -0.43 -0.10 -0.65 -1.52 0.00 0.00 175.55 172.89 1bw3 s GLN 119 N -2.10 0.62 0.22 -3.49 -1.52 0.58 -2.15 119.66 111.82 1bw3 s GLN 119 Ca -0.08 -0.79 -0.30 0.00 -1.95 0.00 0.00 55.36 52.24 1bw3 s GLN 119 Cb -0.03 -0.48 -0.09 0.00 -0.22 0.00 0.00 33.01 32.19 1bw3 s GLN 119 CO -0.01 0.10 1.37 -0.06 -0.25 0.00 0.00 175.29 176.45 1bw3 s PHE 120 N -1.26 3.15 0.03 0.91 0.40 -1.26 -0.36 117.98 119.59 1bw3 s PHE 120 Ca -0.07 1.12 -0.05 0.00 -0.60 0.00 0.00 56.93 57.33 1bw3 s PHE 120 Cb -0.10 -3.71 -0.01 0.00 0.51 0.00 0.00 43.02 39.71 1bw3 s PHE 120 CO 0.01 -2.27 0.07 0.08 0.70 0.00 0.00 175.22 173.81 1bw3 s VAL 121 N 0.10 0.13 -0.03 -0.44 1.01 0.10 -4.78 120.40 116.50 1bw3 s VAL 121 Ca 0.58 -1.10 -0.19 0.00 0.00 0.00 0.00 61.98 61.27 1bw3 s VAL 121 Cb -0.39 -0.83 -0.05 0.00 0.00 0.00 0.00 36.38 35.11 1bw3 s VAL 121 CO 0.40 -0.60 0.54 -0.62 0.00 0.00 0.00 175.10 174.82 1bw3 s ASP 122 N -2.05 6.88 0.10 3.32 2.15 -1.26 -0.82 116.67 124.99 1bw3 s ASP 122 Ca -0.06 1.05 0.24 0.00 0.43 0.00 0.00 52.55 54.21 1bw3 s ASP 122 Cb -0.02 -2.33 0.26 0.00 -0.30 0.00 0.00 42.92 40.52 1bw3 s ASP 122 CO -0.04 0.10 1.23 0.00 -0.17 0.00 0.00 175.17 176.29 1bw3 n ARG 124 N -2.08 -1.13 0.00 0.00 0.63 -1.26 -5.15 116.66 107.66 1bw3 n ARG 124 Ca 0.03 0.58 0.00 0.00 -0.92 0.00 0.00 57.85 57.54 1bw3 n ARG 124 Cb 0.44 -1.56 0.00 0.00 0.45 0.00 0.00 32.46 31.79 1bw3 n ARG 124 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65